Information card for entry 7160644

Structure parameters

• Formula: C20 H22 N4 O
• Calculated formula: C20 H22 N4 O
• Title of publication: Site-selective C(sp³)-H amination of (het)aryl acetic acid derivatives under copper(II) catalysis.
• Authors of publication: Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandreyee; Kundu, Mrinalkanti; Das, Sajal
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 31
• Pages of publication: 7345 - 7355
• a: 11.6746 ± 0.0006 Å
• b: 11.1003 ± 0.0006 Å
• c: 13.6168 ± 0.0007 Å
• α: 90°
• β: 99.287 ± 0.002°
• γ: 90°
• Cell volume: 1741.49 ± 0.16 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No